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	hartrees
Energy at 0K	-40.617157
Energy at 298.15K	-40.624291
Nuclear repulsion energy	90.568356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3011	38.28
2	A'	3284	2996	2.45
3	A'	3258	2973	23.58
4	A'	3160	2884	34.45
5	A'	3154	2878	50.03
6	A'	1869	1706	13.34
7	A'	1635	1492	11.92
8	A'	1629	1486	2.23
9	A'	1566	1429	0.31
10	A'	1564	1427	5.65
11	A'	1443	1317	35.80
12	A'	1265	1154	37.07
13	A'	1170	1068	1.27
14	A'	1147	1047	19.04
15	A'	969	884	37.26
16	A'	598	546	43.46
17	A'	554	505	1.28
18	A'	355	324	0.78
19	A'	246	224	1.67
20	A"	3250	2966	29.11
21	A"	3221	2939	42.66
22	A"	1632	1489	11.88
23	A"	1612	1471	12.16
24	A"	1193	1088	2.24
25	A"	1187	1084	0.66
26	A"	937	855	18.57
27	A"	510	465	4.74
28	A"	265	242	3.07
29	A"	203	185	1.63
30	A"	93	85	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	1.297	2.173	0.000
Cl2	-1.784	0.053	0.000
C3	0.736	-1.987	0.000
C4	0.231	1.966	0.000
H5	-0.213	2.425	0.877
H6	-0.213	2.425	-0.877
C7	0.000	0.474	0.000
C8	0.923	-0.487	0.000
H9	1.946	-0.140	0.000
H10	-0.308	-2.268	0.000
H11	1.209	-2.423	-0.876
H12	1.209	-2.423	0.876

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7398	4.1974	1.0850	1.7637	1.7637	2.1373	2.6859	2.4018	4.7213	4.6793	4.6793
Cl2	3.7398		3.2425	2.7793	2.9778	2.9778	1.8334	2.7611	3.7353	2.7506	3.9826	3.9826
C3	4.1974	3.2425		3.9854	4.5972	4.5972	2.5684	1.5116	2.2083	1.0808	1.0872	1.0872
C4	1.0850	2.7793	3.9854		1.0850	1.0850	1.5104	2.5491	2.7156	4.2681	4.5815	4.5815
H5	1.7637	2.9778	4.5972	1.0850		1.7550	2.1499	3.2465	3.4648	4.7748	5.3478	5.0521
H6	1.7637	2.9778	4.5972	1.0850	1.7550		2.1499	3.2465	3.4648	4.7748	5.0521	5.3478
C7	2.1373	1.8334	2.5684	1.5104	2.1499	2.1499		1.3325	2.0402	2.7585	3.2590	3.2590
C8	2.6859	2.7611	1.5116	2.5491	3.2465	3.2465	1.3325		1.0799	2.1647	2.1442	2.1442
H9	2.4018	3.7353	2.2083	2.7156	3.4648	3.4648	2.0402	1.0799		3.0995	2.5542	2.5542
H10	4.7213	2.7506	1.0808	4.2681	4.7748	4.7748	2.7585	2.1647	3.0995		1.7589	1.7589
H11	4.6793	3.9826	1.0872	4.5815	5.3478	5.0521	3.2590	2.1442	2.5542	1.7589		1.7526
H12	4.6793	3.9826	1.0872	4.5815	5.0521	5.3478	3.2590	2.1442	2.5542	1.7589	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.734	H1	C4	H6	108.734
H1	C4	C7	109.781	Cl2	C7	C4	112.078
Cl2	C7	C8	120.594	C3	C8	C7	129.018
C3	C8	H9	115.889	C4	C7	C8	127.327
H5	C4	H6	107.942	H5	C4	C7	110.793
H6	C4	C7	110.793	C7	C8	H9	115.093
C8	C3	H10	112.168	C8	C3	H11	110.115
C8	C3	H12	110.115	H10	C3	H11	108.446
H10	C3	H12	108.446	H11	C3	H12	107.411

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)

using model chemistry: HF/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.169
2	Cl	-0.047
3	C	-0.583
4	C	-0.542
5	H	0.174
6	H	0.174
7	C	-0.041
8	C	-0.010
9	H	0.188
10	H	0.199
11	H	0.159
12	H	0.159

	x	y	z	Total
	2.641	0.367	0.000	2.667
CHELPG
AIM
ESP

	x	y	z
x	9.912	-1.233	0.000
y	-1.233	8.924	0.000
z	0.000	0.000	5.091

<r²>	130.032
(<r²>)^1/2	11.403

All results from a given calculation for CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)